SCHEMBL5281156

SCHEMBL5281156

C1=CCN(CCCCCOc2ccccc2)C1.c1ccc(-c2cccc(OCCCCCN3CCCC3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.83
LTA4H P09960 1/20 0.70
KCNH2 Q12809 4/20 0.68
HRH4 Q9H3N8 3/20 0.68
BACE1 P56817 1/20 0.68
KDM4E B2RXH2 1/20 0.63
HRH1 P35367 2/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL491712 0.92 HRH3 (0.97) HRH3LTA4HKCNH2HRH4BACE1
SCHEMBL5858684 0.91 HRH3 (0.95) HRH3LTA4HKCNH2HRH4BACE1
SCHEMBL21462645 0.87 HRH3 (0.86) HRH3LTA4HKCNH2HRH4BACE1
SCHEMBL10676754 0.83 HRH3 (0.97) HRH3LTA4HKCNH2HRH4HRH1
SCHEMBL492265 0.83 HRH3 (0.97) HRH3LTA4HKCNH2HRH4HRH1
SCHEMBL492176 0.83 HRH3 (0.79) HRH3KCNH2HRH4KDM4E
SCHEMBL491550 0.83 HRH3 (0.79) HRH3KCNH2HRH4KDM4E
SCHEMBL491651 0.83 KCNA3 (0.57) HRH3KCNH2HRH4
SCHEMBL5280015 0.82 HRH3 (0.79) HRH3KCNH2HRH4HRH1
SCHEMBL5857700 0.82 HRH3 (0.94) HRH3LTA4HKCNH2HRH4HRH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP claimed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO claimed
EP-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP disclosed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO disclosed